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Figure 1. Structural Architecture of Hsp70. Interactive 3D rendering of the E. coli DnaK chaperone (PDB: 5NRO). Highlighting the nucleotide-binding domain (NBD) and substrate-binding domain (SBD) architecture required for allosteric regulation.

Peptide–Protein Interaction Optimization

Integrated AlphaFold 3 structural predictions with fluorescence polarization (FP) assays to drive affinity maturation of protein-binding peptides. Iterative design cycles yielded a 6-fold potency increase (Kd: 30 nM → 5 nM).

AlphaFold 3 PyMOL Fluorescence Polarization

High-Throughput Assay for Multi-Protein Systems

Engineered a 384-well high-throughput screening campaign for the HscA/HscB/IscU chaperone complex. Executed a 1,857-compound pilot screen on BioTek automation, achieving a Z-factor > 0.6 and establishing protocols for hit validation.

Assay Dev Automation Python QC

Validating De Novo Designed Proteins

Validated computational designs through rigorous biophysical characterization. Correlated in silico Rosetta energy scores with experimental binding thermodynamics (MST) and thermal stability (CD) data to verify folding accuracy.

Biophysics Design Validation Rosetta

Small Molecule Inhibitor Synthesis

Synthesized and purified TMEM16A channel inhibitors via multi-step organic synthesis. Characterized products via 1H/13C NMR and HPLC (>95% purity), supporting structure-activity relationship (SAR) studies.

Organic Synthesis HPLC/NMR Medicinal Chem